Materials Data on AgSbPbS3 by Materials Project

doi:10.17188/1271693

Title: Materials Data on AgSbPbS3 by Materials Project

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Abstract

AgPbSbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–3.49 Å. Pb2+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing PbS6 octahedra. The corner-sharing octahedra tilt angles range from 13–28°. There are a spread of Pb–S bond distances ranging from 2.87–3.27 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–3.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, three equivalent Pb2+, and one Sb3+ atom to form a mixture of distorted edge and corner-sharing SAg2SbPb3 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+, one Pb2+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-560848

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; AgSbPbS3; Ag-Pb-S-Sb

OSTI Identifier:: 1271693

DOI:: https://doi.org/10.17188/1271693

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                    The Materials Project. Materials Data on AgSbPbS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271693.

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                    The Materials Project. Materials Data on AgSbPbS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271693

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                    The Materials Project. 2020.  
"Materials Data on AgSbPbS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271693.  https://www.osti.gov/servlets/purl/1271693. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1271693,

  title        = {Materials Data on AgSbPbS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgPbSbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–3.49 Å. Pb2+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing PbS6 octahedra. The corner-sharing octahedra tilt angles range from 13–28°. There are a spread of Pb–S bond distances ranging from 2.87–3.27 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–3.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, three equivalent Pb2+, and one Sb3+ atom to form a mixture of distorted edge and corner-sharing SAg2SbPb3 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+, one Pb2+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms.},

  doi          = {10.17188/1271693},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271693

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